SCHEMBL29977975

SCHEMBL29977975

CC1CCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
PDPK1 O15530 1/20 0.47
GID4 Q8IVV7 1/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
ADRA2A P08913 2/20 0.44
ADRA1A P35348 2/20 0.44
LMNA P02545 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR1A P08908 1/20 0.44
OPRM1 P35372 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15147106 1.00 IDO1 (0.53) IDO1HTR2AHTR2CHTR2BPDPK1
SCHEMBL321745 1.00 IDO1 (0.53) IDO1HTR2AHTR2CHTR2BPDPK1
Hydrogen Peroxide SCHEMBL8418801 0.96 IDO1 (0.50) IDO1HTR2AHTR2CHTR2BPDPK1
SCHEMBL7898130 0.96 TSHR (0.52) IDO1HTR2AHTR2CHTR2BPDPK1
SCHEMBL7374844 0.94 HTR2A (0.52) IDO1HTR2AHTR2CHTR2BPDPK1
SCHEMBL15147096 0.86 HTR2A (0.57) IDO1HTR2AHTR2CHTR2BPDPK1
SCHEMBL186363 0.86 HTR2A (0.57) IDO1HTR2AHTR2CHTR2BPDPK1
SCHEMBL29357487 0.77 IDO1 (0.57) IDO1TSHRHTTADRA2AADRA1A
SCHEMBL145977 0.77 IDO1 (0.57) IDO1TSHRHTTADRA2AADRA1A
SCHEMBL14169790 0.76 SLC18A3 (0.47) IDO1PDPK1TSHRALDH1A1XBP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250144069-A1 BILOBALIDE DERIVATIVE COMPOUNDS FOR TREATING NEUROLOGICAL DISEASES AND CANCERS THE CHINESE UNIVERSITY OF HONG KONG (CN) 2025-05-08 US claimed
CN-119125413-A Method for rapidly identifying grass carp variety and muscle characteristic flavor substances based on GC×GC-TOFMS technology 湖南师范大学 2024-12-13 CN claimed
US-20250144069-A1 BILOBALIDE DERIVATIVE COMPOUNDS FOR TREATING NEUROLOGICAL DISEASES AND CANCERS THE CHINESE UNIVERSITY OF HONG KONG (CN) 2025-05-08 US disclosed
CN-119125413-A Method for rapidly identifying grass carp variety and muscle characteristic flavor substances based on GC×GC-TOFMS technology 湖南师范大学 2024-12-13 CN disclosed
CN-118451066-A 3-Phenyl-1-benzothiophene-2-carboxylic acid derivatives as inhibitors of branched alpha ketoacid dehydrogenase kinase for the treatment of diabetes, kidney disease, NASH and heart failure 辉瑞大药厂 2024-08-06 CN disclosed
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250144069-A1 BILOBALIDE DERIVATIVE COMPOUNDS FOR TREATING NEUROLOGICAL DISEASES AND CANCERS BTD, BCHE, BRCA1 IDO1 4557/4885HTR2A 3761/4885HTR2C 3987/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 IDO1 4444/4885HTR2A 1437/4885HTR2C 2558/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.